ChemSpider 2D Image | 6-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-6-azaspiro[2.5]octane-1-carboxylic acid | C20H26ClNO5

6-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-6-azaspiro[2.5]octane-1-carboxylic acid

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID53644708

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-(3-Chlor-4-isobutoxy-5-methoxybenzoyl)-6-azaspiro[2.5]octan-1-carbonsäure [German] [ACD/IUPAC Name]
6-(3-Chloro-4-isobutoxy-5-methoxybenzoyl)-6-azaspiro[2.5]octane-1-carboxylic acid [ACD/IUPAC Name]
6-Azaspiro[2.5]octane-1-carboxylic acid, 6-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]- [ACD/Index Name]
Acide 6-(3-chloro-4-isobutoxy-5-méthoxybenzoyl)-6-azaspiro[2.5]octane-1-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 101.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 32.92
ACD/KOC (pH 5.5): 239.91
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.80
Polar Surface Area: 76 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 303.1±5.0 cm3

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